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CAS 65312-61-0 (4H)-1,2,4-triazol-3-amine molecular structure lightbox
CAS RN: 65312-61-0

(4H)-1,2,4-triazol-3-amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 25g / 100g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-174975
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 65312-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

65312-61-0 / 1H-1,2,4-triazol-5-amine

Standard CAS: 65312-61-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
65312-61-0
Multi CAS
No
Molecular Formula
C2H4N4
Molecular Weight
84.080000
Exact Mass
84.043596
InChI
InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey
KLSJWNVTNUYHDU-UHFFFAOYSA-N

Physical Properties

Melting Point
318 °F (NTP, 1992) 159 °C MP: 150-153 °C. /TECHNICAL GRADE/ MP: 153-159 °C. /TECHNICAL GRADE/ 318 °F
Density
1.138 at 68 °F (NTP, 1992) - Denser than water; will sink 1.138 at 20 °C Relative density (water = 1): 1.14 (20 °C) 1.14
Physical Description
Amitrole appears as odorless white crystals or white powder. Bitter taste. Melting point 147-159 °C. Sublimes undecomposed at reduced pressure. Used as a post-emergence herbicide. Colorless to white, crystalline powder. [herbicide] [Note: Odorless when pure.] ODOURLESS COLOURLESS CRYSTALS. Colorless to white, crystalline powder.
Appearance
Transparent to off white crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
20.8
TPSA
67.59

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.55
XLogP3
-0.4
Consensus LogP
-0.52
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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